Molecule ID: mol2701

SMILES: COCCOCc1nc(C(F)(F)F)ccc1C(=O)C1C(=O)C(C)CC(C)C1=O

InChI: InChI=1S/C19H22F3NO5/c1-10-8-11(2)17(25)15(16(10)24)18(26)12-4-5-14(19(20,21)22)23-13(12)9-28-7-6-27-3/h4-5,10-11,15H,6-9H2,1-3H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.89 Caine 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization